N-(2-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride

C12H21ClN2O2S2 — CID 120876612

IUPACN-(2-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
SMILESCC1NCCCC1NS(=O)(=O)CCc1cccs1.Cl
InChIInChI=1S/C12H20N2O2S2.ClH/c1-10-12(5-2-7-13-10)14-18(15,16)9-6-11-4-3-8-17-11;/h3-4,8,10,12-14H,2,5-7,9H2,1H3;1H
InChIKeyMMRSVOJVNFSYRW-UHFFFAOYSA-N
MW324.90 g/mol
LogP1.77
Rot. Bonds5

About N-(2-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride

N-(2-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride (PubChem CID 120876612) has the molecular formula C12H21ClN2O2S2 and a molecular weight of 324.90 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
PubChem CID120876612
Molecular FormulaC12H21ClN2O2S2
Molecular Weight324.90 g/mol
Exact Mass324.07
IUPAC NameN-(2-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
SMILESCC1NCCCC1NS(=O)(=O)CCc1cccs1.Cl
InChIInChI=1S/C12H20N2O2S2.ClH/c1-10-12(5-2-7-13-10)14-18(15,16)9-6-11-4-3-8-17-11;/h3-4,8,10,12-14H,2,5-7,9H2,1H3;1H
InChIKeyMMRSVOJVNFSYRW-UHFFFAOYSA-N
XLogP1.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide
CID 120876347
N-piperidin-4-yl-2-thiophen-2-ylethanesulfonamide
CID 120874425
N-(2-methylpiperidin-3-yl)-1-(4-nitrophenyl)methanesulfonamide;hydrochloride
CID 120726600
1-(3-cyanophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide
CID 114695190
2-ethoxy-N-(2-methylpiperidin-3-yl)ethanesulfonamide
CID 79043367
3-methoxy-N-(2-methylpiperidin-3-yl)propane-1-sulfonamide
CID 79043799
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
CID 120876305
1-(3-chloro-4-fluorophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide;hydrochloride
CID 120876608
3-methoxy-N-(2-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride
CID 120726757
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
cis-(1S,2R)-2-methyl-N-(2-thiophen-2-ylethylsulfonyl)cyclopropane-1-carboxamide
CID 99859027
2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695279

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride (CID 120876612) is N-(2-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride is CC1NCCCC1NS(=O)(=O)CCc1cccs1.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride?
The InChIKey is MMRSVOJVNFSYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2.ClH/c1-10-12(5-2-7-13-10)14-18(15,16)9-6-11-4-3-8-17-11;/h3-4,8,10,12-14H,2,5-7,9H2,1H3;1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride is sourced from PubChem (CID 120876612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).